Geometry & MOs

Info

ID:	155857
PubChem CID:	56367895
Reduced:	ClNSF2O2H14C17 (1)
Stoich.:	ABCD2E2F14G17 (1)
Weight, g/mol:	457.128312
ΔH_f, kcal/mol:	-150.39
Dipole, Da:	1.7
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CC(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations